>compound Catechol_Catechol
#instrument UPLC Q-Tof Premier, Waters
>formula C6H6O2
#smiles Oc(c1)c(O)ccc1
#RECORD LC-ESI-QTOF_train_data/PR100636.txt;LC-ESI-QTOF_train_data/PR100635.txt
>charge -1
>ionization [M-H]-
>parentmass 109.02898

>collision 30
81.0349 2.115
91.0183 6.365
108.0193 21.72
109.029 21.8

>collision 5-60
91.0189 13.98
108.0217 72.49
109.029 465.7

